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NASA NTRS2020

Computational Design of Eutectic Molten Salt Mixtures: What Can Thermodynamic Models Do?

In the search for efficient energy storage battery technologies, designing stable electrolytes has been a long-standing challenge. Electrolytes based on molten salt eutectics are known for their stability with minimum parasitic reactions when compared to their widely used organic counterparts. However, the operating temperatures of these molten salt electrolyte-based batteries are dictated by the melting point of the eutectic mixtures. Design and high throughput screening of low melting temperature eutectic molten salt mixtures have been hindered by the lack of computational models. In this work, we develop thermodynamic models to predict the eutectic points of several molten salt mixtures. The framework of the COSMO-SAC model is used for the predictions and is compared with experimental data and other thermodynamic approaches. Rapid thermodynamics-based approaches, as shown in this study, can accelerate the discovery of new materials, complementing experimental techniques.

Ashwin Ravichandran↗

NASA NTRS1995

Structural Optimization Methodology for Rotating Disks of Aircraft Engines

In support of the preliminary evaluation of various engine technologies, a methodology has been developed for structurally designing the rotating disks of an aircraft engine. The structural design methodology, along with a previously derived methodology for predicting low-cycle fatigue life, was implemented in a computer program. An interface computer program was also developed that gathers the required data from a flowpath analysis program (WATE) being used at NASA Lewis. The computer program developed for this study requires minimum interaction with the user, thus allowing engineers with varying backgrounds in aeropropulsion to successfully execute it. The stress analysis portion of the methodology and the computer program were verified by employing the finite element analysis method. The 10th- stage, high-pressure-compressor disk of the Energy Efficient Engine Program (E3) engine was used to verify the stress analysis; the differences between the stresses and displacements obtained from the computer program developed for this study and from the finite element analysis were all below 3 percent for the problem solved. The computer program developed for this study was employed to structurally optimize the rotating disks of the E3 high-pressure compressor. The rotating disks designed by the computer program in this study were approximately 26 percent lighter than calculated from the E3 drawings. The methodology is presented herein.

Armand, Sasan C.↗

NASA NTRS1979

Analytical prediction with multidimensional computer programs and experimental verification of the performance, at a variety of operating conditions, of two traveling wave tubes with depressed collectors

Experimental and analytical results are compared for two high performance, octave bandwidth TWT's that use depressed collectors (MDC's) to improve the efficiency. The computations were carried out with advanced, multidimensional computer programs that are described here in detail. These programs model the electron beam as a series of either disks or rings of charge and follow their multidimensional trajectories from the RF input of the ideal TWT, through the slow wave structure, through the magnetic refocusing system, to their points of impact in the depressed collector. Traveling wave tube performance, collector efficiency, and collector current distribution were computed and the results compared with measurements for a number of TWT-MDC systems. Power conservation and correct accounting of TWT and collector losses were observed. For the TWT's operating at saturation, very good agreement was obtained between the computed and measured collector efficiencies. For a TWT operating 3 and 6 dB below saturation, excellent agreement between computed and measured collector efficiencies was obtained in some cases but only fair agreement in others. However, deviations can largely be explained by small differences in the computed and actual spent beam energy distributions. The analytical tools used here appear to be sufficiently refined to design efficient collectors for this class of TWT. However, for maximum efficiency, some experimental optimization (e.g., collector voltages and aperture sizes) will most likely be required.

Dayton, J. A., Jr.↗

NASA NTRS2014

CSP: A Multifaceted Hybrid Architecture for Space Computing

Research on the CHREC Space Processor (CSP) takes a multifaceted hybrid approach to embedded space computing. Working closely with the NASA Goddard SpaceCube team, researchers at the National Science Foundation (NSF) Center for High-Performance Reconfigurable Computing (CHREC) at the University of Florida and Brigham Young University are developing hybrid space computers that feature an innovative combination of three technologies: commercial-off-the-shelf (COTS) devices, radiation-hardened (RadHard) devices, and fault-tolerant computing. Modern COTS processors provide the utmost in performance and energy-efficiency but are susceptible to ionizing radiation in space, whereas RadHard processors are virtually immune to this radiation but are more expensive, larger, less energy-efficient, and generations behind in speed and functionality. By featuring COTS devices to perform the critical data processing, supported by simpler RadHard devices that monitor and manage the COTS devices, and augmented with novel uses of fault-tolerant hardware, software, information, and networking within and between COTS devices, the resulting system can maximize performance and reliability while minimizing energy consumption and cost. NASA Goddard has adopted the CSP concept and technology with plans underway to feature flight-ready CSP boards on two upcoming space missions.

Reconfigurable↗

NASA NTRS1993

Averaging techniques for steady and unsteady calculations of a transonic fan stage

It is often desirable to characterize a turbomachinery flow field with a few lumped parameters such as total pressure ratio or stage efficiency. Various averaging schemes may be used to compute these parameters. Here three averaging schemes, the momentum, energy, and area averaging schemes, are described and compared for two computed solutions of the midspan section of a transonic fan stage: a steady averaging-plane solution in which average rotor outflow conditions were used as stator inflow conditions and an unsteady rotor-stator interaction solution. The unsteady solution is described, some unsteady flow phenomena are discussed and the steady pressure distributions are compared. Despite large unsteady pressure fluctuations on the stator surface, the steady pressure distribution matched the average unsteady distribution almost exactly. Stator wake profiles, stator loss coefficient, and stage efficiency were computed for the two solutions with the three averaging schemes and are compared. In general the energy averaging scheme gave good agreement between the averaging-plane solution and the time-averaged unsteady solution, even though certain phenomena due to unsteady wake migration were neglected.

Wyss, M. L.↗

NASA NTRS1994

Theoretical investigation of wave-vector-dependent analytical and numerical formulations of the interband impact-ionization transition rate for electrons in bulk silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E. Scholl, and M. Rudan (1993), and a more exact, numerical method of Y. Wang and K. F. Brennan (1994). Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formular, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with the completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to the overlap intergrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such the transition rate may be overestimated at those points for which 'near vertical,' small change in k, transitions occur.

Kolnik, Jan↗

NASA NTRS1994

Theoretical Investigation of Wave-Vector-Dependent Analytical and Numerical Formulations of the Interband Impact-Ionization Transition Rate for Electron in Bulk Silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E Scholl, and M. Rudan, and a more exact, numerical method of Y. Wang and K. F. Brennan. Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formula, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with (he completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to (he overlap integrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such [he transition rate may be overestimated at those points for which "near vertical," small change in k, transitions occur.

Kolnik, Jan↗

NASA NTRS1982

Gain-enhanced free-electron laser with an electromagnetic pump field

The feasibility of enhancing the gain for the free electron laser (FEL) with an electromagnetic (EM) pump field has been considered. The enhancement is provided by reacceleration of the electrons in the interaction region by means of a static, axial electric field. A FEL utilizing a low energy electron beam and a wiggler magnet with a periodicity on the order of 1 cm would produce far infared (FIR) radiation with wavelengths on the order of a few hundred microns. The use of the FIR radiation as the pump field in a two-stage FEL is envisioned to obtain visible radiation with a low energy electron beam. A summary is provided regarding the theory and equations of motion for the EM-pumped FEL. The derived relations are applied to the second stage of such a two-stage FEL. The obtained equations have been incorporated into a computer code which has been used to calculate laser gain and energy conversion efficiency.

Hiddleston, H. R.↗

NASA NTRS2001

Experiments and Model Development for the Investigation of Sooting and Radiation Effects in Microgravity Droplet Combustion

Today, despite efforts to develop and utilize natural gas and renewable energy sources, nearly 97% of the energy used for transportation is derived from combustion of liquid fuels, principally derived from petroleum. While society continues to rely on liquid petroleum-based fuels as a major energy source in spite of their finite supply, it is of paramount importance to maximize the efficiency and minimize the environmental impact of the devices that burn these fuels. The development of improved energy conversion systems, having higher efficiencies and lower emissions, is central to meeting both local and regional air quality standards. This development requires improvements in computational design tools for applied energy conversion systems, which in turn requires more robust sub-model components for combustion chemistry, transport, energy transport (including radiation), and pollutant emissions (soot formation and burnout). The study of isolated droplet burning as a unidimensional, time dependent model diffusion flame system facilitates extensions of these mechanisms to include fuel molecular sizes and pollutants typical of conventional and alternative liquid fuels used in the transportation sector. Because of the simplified geometry, sub-model components from the most detailed to those reduced to sizes compatible for use in multi-dimensional, time dependent applied models can be developed, compared and validated against experimental diffusion flame processes, and tested against one another. Based on observations in microgravity experiments on droplet combustion, it appears that the formation and lingering presence of soot within the fuel-rich region of isolated droplets can modify the burning rate, flame structure and extinction, soot aerosol properties, and the effective thermophysical properties. These observations led to the belief that perhaps one of the most important outstanding contributions of microgravity droplet combustion is the observation that in the absence of asymmetrical forced and natural convection, a soot shell is formed between the droplet surface and the flame, exerting an influence on the droplet combustion response far greater than previously recognized. The effects of soot on droplet burning parameters, including burning rate, soot shell dynamics, flame structure, and extinction phenomena provide significant testing parameters for studying the structure and coupling of soot models with other sub-model components.

Choi, Mun Young↗

NASA NTRS2015

A Decision-Support Model for Selecting Additive Manufacturing Versus Subtractive Manufacturing Based on Energy Consumption

This paper presents a simple computational model for determining whether additive manufacturing or subtractive manufacturing is more energy efficient for production of a given metallic part. The key discriminating variable is the fraction of the bounding envelope that contains material – i.e. the volume fraction of solid material. For both the additive process and the subtractive process, the total energy associated with the production of a part is defined in terms of the volume fraction of that part. The critical volume fraction is that for which the energy consumed by subtractive manufacturing equals the energy consumed by additive manufacturing. For volume fractions less than the critical value, additive manufacturing is more energy efficient. For volume fractions greater than the critical value, subtractive manufacturing is more efficient. The model considers the entire manufacturing lifecycle – from production and transport of feedstock material through processing to return of post-production scrap for recycling. Energy consumed by processing equipment while idle is also accounted for in the model. Although the individual energy components in the model are identified and accounted for in the expressions for additive and subtractive manufacturing, values for many of these components may not be currently available. Energy values for some materials’ production and subtractive and additive manufacturing processes can be found in the literature. However, since many of these data are reported for a very specific application, it may be difficult, if not impossible, to reliably apply these data to new process-material manufacturing scenarios since, very often, insufficient information is provided to enable extrapolation to broader use. Consequently, this paper also highlights the need to develop improved knowledge of the energy embodied in each phase of the manufacturing process. To be most valuable, users of the model should determine the energy consumed by their manufacturing process equipment on the basis of energy-per-unit-volume of production for each material of interest – considering both alloy composition and form. Energy consumed during machine idle per unit time should also be determined by the user then scaled to specific processing scenarios. Energy required to generate feedstock material (billet, plate, bar, wire, powder) must be obtained from suppliers.

J K Watson↗

NASA NTRS1989

Classical trajectory studies of gas phase reaction dynamics and kinetics using ab initio potential energy surfaces

Strategies for constructing global potential energy surfaces from a limited number of accurate ab initio electronic energy calculations are discussed. Generally, these data are concentrated in small regions of configuration space (e.g., in the vicinity of saddle points and energy minima) and difficulties arise in generating a potential function that is globally well-behaved. Efficient computer codes for carrying out classical trajectory calculations on vector and parallel processors are also described. Illustrations are given from recent work on the following chemical systems: Ca + HF yields CaF + H, H + H + H2 yields H2 + H2, N + O2 yields NO + O and O + N2 yields NO + N. The dynamics and kinetics of metathesis, dissociation, recombination, energy transfer and complex formation processes will be discussed.

Jaffe, Richard L.↗

NASA NTRS1993

Particle tracing in the magnetosphere - New algorithms and results

A fast and efficient method is employed to trace charged particles through realistic magnetospheric electric and magnetic fields, greatly reducing computer simulation times. The method is applicable for particles having arbitrary charge, energy, or pitch angle but which conserve the first two adiabatic invariants. An efficient method is used to classify drift orbits, which greatly facilitates identification of the last closed drift path or other drift boundaries. The time-independent evolution of the bounce-averaged phase space density along convective drift orbits is calculated. These three tools can be used to quantitatively describe convective evolution of the particle distribution from the tail, an essential step in understanding the production of unstable distributions in the magnetosphere.

Sheldon, R. B.↗

NASA NTRS1981

Study of the effects of impurities on the properties of silicon materials and performance of silicon solar cell

The effect of silicon film thickness on the energy conversion efficiency of a back surface field solar cell is investigated. A computer-aided design study on the dependence of efficiency peaks on the concentrations of the recombination and dopant impurities is presented. The illuminated current voltage characteristics of over 100 cell designs were obtained using the transmission line circuit model to numerically solve the Shockley Equations. Using an AM1 efficiency of 17% as a target value, it is shown that the efficiency versus thickness dependence has a broad maximum which varies less than 1% over more than three-to-one range of cell thickness from 30 to 100 microns. Optical reflecting back surface will give only a slight improvement of AM1 efficiency, about 0.7%, in this thickness range. The sensitive dependence of efficiency on patchiness across the back surface field, low high junction in thin cells is noted.

Sah, C. T.↗

NASA NTRS1995

Bounce-Averaged Hamiltonian for Charged Particles in an Axisymmetric but Nondipolar Model Magnetosphere

In order to facilitate bounce-averaged guiding center simulations of geomagnetically trapped particles, we express the kinetic energy of a particle with magnetic coordinates (L,phi) as an analytic function of the first two adiabatic invariants (M, J) and the L value of the field line. The magnetic field model is axisymmetric, consisting of a dipolar B field plus a uniform southward magnetic field parallel to the dipole moment mu(sub E). This model magnetosphere is surrounded by a circular equatorial neutral line whose radius b is an adjustable parameter. The L value of a field line is (by definition) inversely proportional to the flux enclosed by the corresponding magnetic shell of equatorial radius r(sub 0), and the L value at the neutral line (r(sub 0) = b) is denoted L*. The azimuthal coordinate phi measures magnetic local time. The best functional representation found for the normalized difference (L(exp 3)a(exp 3)/mu(sub E))(B(sub m) - B(sub 0)) between mirror-point field B(sub m) and equatorial field B(sub 0) along any field line is a 5-term expansion in powers (2/3 through 6/3) of the quantity X equivalent to (La/mu(sub E))(exp 1/2)K, where K equivalent to (J(exp 2)/8m(sub 0)M)(exp 1/2) is an adiabatically conserved quantity independent of particle energy, m(sub 0) is the rest mass of the particle, and a is the radius of the Earth. This functional form is motivated by results for limiting cases in which particles mirror very near and very far from the magnetic equator. Expansion coefficients corresponding to various powers of X are obtained from least squares fits to numerically computed results for X as a function of L and B(sub m). These are accurately expressible as fourth-order polynomials in (r(sub 0)/b)(exp 3), hence indirectly as functions of L/L* = 3La/2b. This representation, which leads (except for a manageably small region of parameter space) to better than 1% accuracy in the specification of B(sub m) as a function of K and L, allows bounce-averaged guiding center simulations to be performed without actually tracing the bounce motions of individual particles. Bounce-averaged drifts L' (meridional) and phi' (azimuthal) are proportional to derivatives of the Hamiltonian H (sum of kinetic and potential energies) with respect to phi and L, respectively. Our formulation thus provides a computationally efficient method for tracing the bounce-averaged adiabatic motion (conserving all three invariants) and nonadiabatic transport (violating the third invariant while conserving the first two invariants) of geomagnetically trapped particles in the model magnetosphere.

Schulz, Michael↗

NASA NTRS1994

Implementation and Assessment of Advanced Analog Vector-Matrix Processor

This paper discusses the design and implementation of an analog optical vecto-rmatrix coprocessor with a throughput of 128 Mops for a personal computer. Vector matrix calculations are inherently parallel, providing a promising domain for the use of optical calculators. However, to date, digital optical systems have proven too cumbersome to replace electronics, and analog processors have not demonstrated sufficient accuracy in large scale systems. The goal of the work described in this paper is to demonstrate a viable optical coprocessor for linear operations. The analog optical processor presented has been integrated with a personal computer to provide full functionality and is the first demonstration of an optical linear algebra processor with a throughput greater than 100 Mops. The optical vector matrix processor consists of a laser diode source, an acoustooptical modulator array to input the vector information, a liquid crystal spatial light modulator to input the matrix information, an avalanche photodiode array to read out the result vector of the vector matrix multiplication, as well as transport optics and the electronics necessary to drive the optical modulators and interface to the computer. The intent of this research is to provide a low cost, highly energy efficient coprocessor for linear operations. Measurements of the analog accuracy of the processor performing 128 Mops are presented along with an assessment of the implications for future systems. A range of noise sources, including cross-talk, source amplitude fluctuations, shot noise at the detector, and non-linearities of the optoelectronic components are measured and compared to determine the most significant source of error. The possibilities for reducing these sources of error are discussed. Also, the total error is compared with that expected from a statistical analysis of the individual components and their relation to the vector-matrix operation. The sufficiency of the measured accuracy of the processor is compared with that required for a range of typical problems. Calculations resolving alloy concentrations from spectral plume data of rocket engines are implemented on the optical processor, demonstrating its sufficiency for this problem. We also show how this technology can be easily extended to a 100 x 100 10 MHz (200 Cops) processor.

Gary, Charles K.↗

NASA NTRS1974

Rocket engine thrust chamber heat transfer calculation and analysis

A parametric study of the heat transfer rate along the wall of a rocket nozzle is presented. The influences of different parameters; laminar and turbulent Lewis number, mixture ratio, initial wall temperature distribution, and eddy viscosity, were considered. The numerical evaluation of these influences on heat transfer rate was done by using three different compressible, reacting laminar and turbulent boundary layer computer programs; MABL (Mass Addition Boundary Layer Program), MABL-KE (MABL program is modified to include turbulent kinetic energy equation), and BLIMP (Boundary Layer Integral Matrix Procedure). This study also provided an excellent opportunity to evaluate the efficiencies of these three computer programs and to suggest one of them for future computational purposes.

Saha, H.↗

NASA NTRS2012

Ice Particle Transport Analysis With Phase Change for the E(sup 3) Turbofan Engine Using LEWICE3D Version 3.2

Ice Particle trajectory calculations with phase change were made for the Energy Efficient Engine (E(sup 3)) using the LEWICE3D Version 3.2 software. The particle trajectory computations were performed using the new Glenn Ice Particle Phase Change Model which has been incorporated into the LEWICE3D Version 3.2 software. The E(sup 3) was developed by NASA and GE in the early 1980 s as a technology demonstrator and is representative of a modern high bypass turbofan engine. The E(sup 3) flow field was calculated using the NASA Glenn ADPAC turbomachinery flow solver. Computations were performed for the low pressure compressor of the E(sup 3) for a Mach 0.8 cruise condition at 11,887 m assuming a standard warm day for ice particle sizes of 5, 20, and 100 microns and a free stream particle concentration of 0.3 g/cu m. The impingement efficiency results showed that as particle size increased average impingement efficiencies and scoop factors increased for the various components. The particle analysis also showed that the amount of mass entering the inner core decreased with increased particle size because the larger particles were less able to negotiate the turn into the inner core due to particle inertia. The particle phase change analysis results showed that the larger particles warmed less as they were transported through the low pressure compressor. Only the smallest 5 micron particles were warmed enough to produce melting and the amount of melting was relatively small with a maximum average melting fraction of 0.836. The results also showed an appreciable amount of particle sublimation and evaporation for the 5 micron particles entering the engine core (22 percent).

Bidwell, Colin, S.↗

NASA NTRS2013

Galactic Cosmic Ray Event-Based Risk Model (GERM) Code

This software describes the transport and energy deposition of the passage of galactic cosmic rays in astronaut tissues during space travel, or heavy ion beams in patients in cancer therapy. Space radiation risk is a probability distribution, and time-dependent biological events must be accounted for physical description of space radiation transport in tissues and cells. A stochastic model can calculate the probability density directly without unverified assumptions about shape of probability density function. The prior art of transport codes calculates the average flux and dose of particles behind spacecraft and tissue shielding. Because of the signaling times for activation and relaxation in the cell and tissue, transport code must describe temporal and microspatial density of functions to correlate DNA and oxidative damage with non-targeted effects of signals, bystander, etc. These are absolutely ignored or impossible in the prior art. The GERM code provides scientists data interpretation of experiments; modeling of beam line, shielding of target samples, and sample holders; and estimation of basic physical and biological outputs of their experiments. For mono-energetic ion beams, basic physical and biological properties are calculated for a selected ion type, such as kinetic energy, mass, charge number, absorbed dose, or fluence. Evaluated quantities are linear energy transfer (LET), range (R), absorption and fragmentation cross-sections, and the probability of nuclear interactions after 1 or 5 cm of water equivalent material. In addition, a set of biophysical properties is evaluated, such as the Poisson distribution for a specified cellular area, cell survival curves, and DNA damage yields per cell. Also, the GERM code calculates the radiation transport of the beam line for either a fixed number of user-specified depths or at multiple positions along the Bragg curve of the particle in a selected material. The GERM code makes the numerical estimates of basic physical and biophysical quantities of high-energy protons and heavy ions that have been studied at the NASA Space Radiation Laboratory (NSRL) for the purpose of simulating space radiation biological effects. In the first option, properties of monoenergetic beams are treated. In the second option, the transport of beams in different materials is treated. Similar biophysical properties as in the first option are evaluated for the primary ion and its secondary particles. Additional properties related to the nuclear fragmentation of the beam are evaluated. The GERM code is a computationally efficient Monte-Carlo heavy-ion-beam model. It includes accurate models of LET, range, residual energy, and straggling, and the quantum multiple scattering fragmentation (QMSGRG) nuclear database.

Cucinotta, Francis A.↗